4-[(E)-[3-(4-carboxyphenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[3-(4-carboxyphenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[3-(4-carboxyphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[3-(4-carboxyphenyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[3-(4-carboxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[3-(4-carboxyphenyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C18H11NO5S2 MolecularWeight: 385.41364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H11NO5S2/c20-15-14(9-10-1-3-11(4-2-10)16(21)22)26-18(25)19(15)13-7-5-12(6-8-13)17(23)24/h1-9H,(H,21,22)(H,23,24)/b14-9+